(phenylmethyl) 2-[ethanoyl(methyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (phenylmethyl) 2-[ethanoyl(methyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: benzyl 2-[acetyl(methyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[acetyl(methyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[acetyl(methyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[acetyl(methyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid benzyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N(C)C1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3S/c1-13(21)20(2)18-17(15-10-6-7-11-16(15)24-18)19(22)23-12-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-12H2,1-2H3